4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide

C10H20F3N3 — CID 65252134

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC)CC(F)(F)F
InChIInChI=1S/C10H20F3N3/c1-4-16(7-10(11,12)13)6-5-9(2,3)8(14)15/h4-7H2,1-3H3,(H3,14,15)
InChIKeyPAUBUIUQWZOCTN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds6

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252134) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252134
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC)CC(F)(F)F
InChIInChI=1S/C10H20F3N3/c1-4-16(7-10(11,12)13)6-5-9(2,3)8(14)15/h4-7H2,1-3H3,(H3,14,15)
InChIKeyPAUBUIUQWZOCTN-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide (CID 65252134) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CC)CC(F)(F)F.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is PAUBUIUQWZOCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-4-16(7-10(11,12)13)6-5-9(2,3)8(14)15/h4-7H2,1-3H3,(H3,14,15).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 239.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).